1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde

C11H21NOS — CID 112664517

IUPAC1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCSCCN(C)CC1(C=O)CCCC1
InChIInChI=1S/C11H21NOS/c1-12(7-8-14-2)9-11(10-13)5-3-4-6-11/h10H,3-9H2,1-2H3
InChIKeyRCXJYIDDTXOGLC-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds6

About 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 112664517) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID112664517
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCSCCN(C)CC1(C=O)CCCC1
InChIInChI=1S/C11H21NOS/c1-12(7-8-14-2)9-11(10-13)5-3-4-6-11/h10H,3-9H2,1-2H3
InChIKeyRCXJYIDDTXOGLC-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(Diethylaminomethyl) cyclopentanecarboxaldehyde
CID 15365678
1-[(Dimethylamino)Methyl]Cyclopentane-1-Carbaldehyde
CID 12610330
1-[[Ethyl(methyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276766
1-[[Bis(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 55050831
1-[[Methyl(propyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275625
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275629
1-(Thiomorpholin-4-ylmethyl)cyclopentane-1-carbaldehyde
CID 62275804
1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carbaldehyde
CID 62275847
1-[[Ethyl(propyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275999
1-[[Ethyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276383
1-[[Methyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276385
1-[[2,2-Dimethylpropyl(methyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276446

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 112664517) is 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde is CSCCN(C)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is RCXJYIDDTXOGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-12(7-8-14-2)9-11(10-13)5-3-4-6-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 215.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 112664517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).